Computational studies of [NiFe] and [FeFe] hydrogenases.
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Mechanism of nitrogen fixation by nitrogenase: the next stageNAD(H)-coupled hydrogen cycling - structure-function relationships of bidirectional [NiFe] hydrogenasesFrom natural to artificial photosynthesisTerminal vs bridging hydrides of diiron dithiolates: protonation of Fe2(dithiolate)(CO)2(PMe3)4.Small molecule mimics of hydrogenases: hydrides and redox.Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.Computational investigation of [FeFe]-hydrogenase models: characterization of singly and doubly protonated intermediates and mechanistic insights.Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experiment.Reversibility and efficiency in electrocatalytic energy conversion and lessons from enzymes.Regioselectivity of H cluster oxidation.EPR/ENDOR, Mössbauer, and quantum-chemical investigations of diiron complexes mimicking the active oxidized state of [FeFe]hydrogenase.Connecting [NiFe]- and [FeFe]-hydrogenases: mixed-valence nickel-iron dithiolates with rotated structuresInvestigations by Protein Film Electrochemistry of Alternative Reactions of Nickel-Containing Carbon Monoxide DehydrogenaseIsomerization of the hydride complexes [HFe2(SR)2(PR3)(x)(CO)(6-x)]+ (x = 2, 3, 4) relevant to the active site models for the [FeFe]-hydrogenasesFavorable Protonation of the (μ-edt)[Fe(2)(PMe(3))(4)(CO)(2)(H-terminal)](+) Hydrogenase Model Complex Over Its Bridging μ-H Counterpart: A Spectroscopic and DFT Study.Oxygen tolerance of an in silico-designed bioinspired hydrogen-evolving catalyst in water.Terminal hydride in [FeFe]-hydrogenase model has lower potential for H2 production than the isomeric bridging hydride.Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active SitePreparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6Nitrosyl derivatives of diiron(I) dithiolates mimic the structure and Lewis acidity of the [FeFe]-hydrogenase active site.Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides.The rate-determining step is dead. Long live the rate-determining state!Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives.Recent Progress in Photocatalysis Mediated by Colloidal II-VI Nanocrystals.Active-site models for the nickel-iron hydrogenases: effects of ligands on reactivity and catalytic properties.Proton Transfer in the Catalytic Cycle of [NiFe] Hydrogenases: Insight from Vibrational Spectroscopy.Metal organic frameworks mimicking natural enzymes: a structural and functional analogy.Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides.Concepts in bio-molecular spectroscopy: vibrational case studies on metalloenzymes.The mechanism of hydrogen evolution in Cu(bztpen)-catalysed water reduction: a DFT study.Redox active iron nitrosyl units in proton reduction electrocatalysis.Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study.Diiron dithiolato carbonyls related to the H(ox)CO state of [FeFe]-hydrogenase.Discovery of Dark pH-Dependent H(+) Migration in a [NiFe]-Hydrogenase and Its Mechanistic Relevance: Mobilizing the Hydrido Ligand of the Ni-C IntermediateRole of the azadithiolate cofactor in models for [FeFe]-hydrogenase: novel structures and catalytic implicationsModeling the signatures of hydrides in metalloenzymes: ENDOR analysis of a Di-iron Fe(μ-NH)(μ-H)Fe core.Hydrogen activation by biomimetic [NiFe]-hydrogenase model containing protected cyanide cofactors.The hydrogenase activity of the molybdenum/copper-containing carbon monoxide dehydrogenase of Oligotropha carboxidovorans.An iron(II) carbonyl thiolato complex bearing 2-methoxy-pyridine: a structural model of the active site of [Fe] hydrogenase.Precursors to [FeFe]-hydrogenase models: syntheses of Fe2(SR)2(CO)6 from CO-free iron sources.
P2860
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P2860
Computational studies of [NiFe] and [FeFe] hydrogenases.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Computational studies of [NiFe] and [FeFe] hydrogenases.
@en
type
label
Computational studies of [NiFe] and [FeFe] hydrogenases.
@en
prefLabel
Computational studies of [NiFe] and [FeFe] hydrogenases.
@en
P356
P1433
P1476
Computational studies of [NiFe] and [FeFe] hydrogenases
@en
P2093
Jesse W Tye
Per E M Siegbahn
P304
P356
10.1021/CR050185Y
P577
2007-10-01T00:00:00Z